Geometry & MOs

Info

ID:	338372
PubChem CID:	127259064
Reduced:	NO4C11H13 (1)
Stoich.:	AB4C11D13 (1)
Weight, g/mol:	292.009156
ΔH_f, kcal/mol:	-117.33
Dipole, Da:	3.91
IP(EA), eV:	-8.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dichlorophenyl)sulfanylbutyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC=NC1=C(C=C(C=C1)OC)OC

DOS

IR

Vibrations